N-[(1R,3S)-2,2-diethyl-3-methoxycyclobutyl]-1-pyrimidin-2-ylpiperidin-4-amine

C18H30N4O — CID 97336093

IUPACN-[(1R,3S)-2,2-diethyl-3-methoxycyclobutyl]-1-pyrimidin-2-ylpiperidin-4-amine
SMILESCCC1(CC)[C@@H](OC)C[C@H]1NC1CCN(c2ncccn2)CC1
InChIInChI=1S/C18H30N4O/c1-4-18(5-2)15(13-16(18)23-3)21-14-7-11-22(12-8-14)17-19-9-6-10-20-17/h6,9-10,14-16,21H,4-5,7-8,11-13H2,1-3H3/t15-,16+/m1/s1
InChIKeyGSEKDAUJHZEXFC-CVEARBPZSA-N
MW318.46 g/mol
LogP2.63
Rot. Bonds6

About N-[(1R,3S)-2,2-diethyl-3-methoxycyclobutyl]-1-pyrimidin-2-ylpiperidin-4-amine

N-[(1R,3S)-2,2-diethyl-3-methoxycyclobutyl]-1-pyrimidin-2-ylpiperidin-4-amine (PubChem CID 97336093) has the molecular formula C18H30N4O and a molecular weight of 318.46 g/mol. Its IUPAC name is N-[(1R,3S)-2,2-diethyl-3-methoxycyclobutyl]-1-pyrimidin-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(1R,3S)-2,2-diethyl-3-methoxycyclobutyl]-1-pyrimidin-2-ylpiperidin-4-amine
PubChem CID97336093
Molecular FormulaC18H30N4O
Molecular Weight318.46 g/mol
Exact Mass318.24
IUPAC NameN-[(1R,3S)-2,2-diethyl-3-methoxycyclobutyl]-1-pyrimidin-2-ylpiperidin-4-amine
SMILESCCC1(CC)[C@@H](OC)C[C@H]1NC1CCN(c2ncccn2)CC1
InChIInChI=1S/C18H30N4O/c1-4-18(5-2)15(13-16(18)23-3)21-14-7-11-22(12-8-14)17-19-9-6-10-20-17/h6,9-10,14-16,21H,4-5,7-8,11-13H2,1-3H3/t15-,16+/m1/s1
InChIKeyGSEKDAUJHZEXFC-CVEARBPZSA-N
XLogP2.63
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1R,3S)-2,2-diethyl-3-methoxycyclobutyl]-1-pyrimidin-2-ylpiperidin-4-amine with MolForge

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Related Compounds

N-(3-methoxycyclohexyl)-1-pyrimidin-2-ylpiperidin-4-amine
CID 106871636
N-(4-methylcyclohexyl)-1-pyrimidin-2-ylpiperidin-4-amine
CID 43675571
N-butan-2-yl-1-pyrimidin-2-ylpiperidin-4-amine
CID 43675609
N-propan-2-yl-1-pyrimidin-2-ylpiperidin-4-amine
CID 43675626
N-[(5-chloro-2-methoxyphenyl)methyl]-1-pyrimidin-2-ylpiperidin-4-amine
CID 56814864
2,6-dimethoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
CID 110712543
(1R,3R,4S)-4-hydroxy-3-methoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 135107590
(2S)-2-amino-3-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)pentanamide
CID 61172472
2-(4-butan-2-ylpiperidin-1-yl)pyrimidine
CID 145314724
N-ethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexan-1-amine
CID 114762762
azane;2-(4-methylpiperidin-1-yl)pyrimidine
CID 70283358
N-[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]-1-pyrimidin-2-ylpiperidin-4-amine
CID 122641169

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3S)-2,2-diethyl-3-methoxycyclobutyl]-1-pyrimidin-2-ylpiperidin-4-amine?
The IUPAC name of N-[(1R,3S)-2,2-diethyl-3-methoxycyclobutyl]-1-pyrimidin-2-ylpiperidin-4-amine (CID 97336093) is N-[(1R,3S)-2,2-diethyl-3-methoxycyclobutyl]-1-pyrimidin-2-ylpiperidin-4-amine.
What is the SMILES notation for N-[(1R,3S)-2,2-diethyl-3-methoxycyclobutyl]-1-pyrimidin-2-ylpiperidin-4-amine?
The canonical SMILES for N-[(1R,3S)-2,2-diethyl-3-methoxycyclobutyl]-1-pyrimidin-2-ylpiperidin-4-amine is CCC1(CC)[C@@H](OC)C[C@H]1NC1CCN(c2ncccn2)CC1.
What is the InChIKey of N-[(1R,3S)-2,2-diethyl-3-methoxycyclobutyl]-1-pyrimidin-2-ylpiperidin-4-amine?
The InChIKey is GSEKDAUJHZEXFC-CVEARBPZSA-N. The full InChI is InChI=1S/C18H30N4O/c1-4-18(5-2)15(13-16(18)23-3)21-14-7-11-22(12-8-14)17-19-9-6-10-20-17/h6,9-10,14-16,21H,4-5,7-8,11-13H2,1-3H3/t15-,16+/m1/s1.
What are the key properties of N-[(1R,3S)-2,2-diethyl-3-methoxycyclobutyl]-1-pyrimidin-2-ylpiperidin-4-amine?
N-[(1R,3S)-2,2-diethyl-3-methoxycyclobutyl]-1-pyrimidin-2-ylpiperidin-4-amine has a molecular weight of 318.46 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3S)-2,2-diethyl-3-methoxycyclobutyl]-1-pyrimidin-2-ylpiperidin-4-amine is sourced from PubChem (CID 97336093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).